1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine

C14H23NO4 — CID 54936066

IUPAC1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OCCCOC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-15-10-11-8-12(17-3)14(13(9-11)18-4)19-7-5-6-16-2/h8-9,15H,5-7,10H2,1-4H3
InChIKeyLFXWFAKZFQEALW-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.84
Rot. Bonds9

About 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine

1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine (PubChem CID 54936066) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
PubChem CID54936066
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OCCCOC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-15-10-11-8-12(17-3)14(13(9-11)18-4)19-7-5-6-16-2/h8-9,15H,5-7,10H2,1-4H3
InChIKeyLFXWFAKZFQEALW-UHFFFAOYSA-N
XLogP1.84
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 65176513
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62326748
[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
CID 104646966
1-(3-chloro-5-methoxy-4-octoxyphenyl)-N-methylmethanamine
CID 43276494
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702314
6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702470
5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
CID 62227458
5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180740
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 62104186
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine (CID 54936066) is 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine is CNCc1cc(OC)c(OCCCOC)c(OC)c1.
What is the InChIKey of 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine?
The InChIKey is LFXWFAKZFQEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-15-10-11-8-12(17-3)14(13(9-11)18-4)19-7-5-6-16-2/h8-9,15H,5-7,10H2,1-4H3.
What are the key properties of 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine?
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine has a molecular weight of 269.34 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 54936066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).